Dragan M. Popović

Editorial: Exploration of the role of heme proteins in biology with experimental and computational methods

Dragan M. Popović, Sergey A. Siletsky, Chunmao He, M. R. Gunner

Studying how these biomolecules function can help design more efficient drugs or inhibitors and develop more effective treatments for disorders related to the clinically relevant mutations and dysfunction of heme proteins (Zhai et al., 2023;Lee et al., 2024). Synthetic bioinspired heme proteins …

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Tuning crystal packing and reactivity through electrostatic and dispersion interactions: The case of phenytoin and its derivatives

Ivana Đorđević, Sonja Grubišić, Dragana M. Mitić, Dragan M. Popović et autres

Hydantoin derivatives represent a versatile class of heterocycles, known for their pharmacological properties. Because drug efficacy often depends on the fine-tuning of weak intermolecular (non-covalent) interactions, analysis of the crystal structure of a drug molecule is important, as it enables deciphering its …

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rBet v 1a-BanLecwt induce upregulation of IL-10 and IFN-γ gene expression in Caco-2/THP-1 co-culture and secretion of IL-10 and IFN-γ/IL-4 levels in PBMCs of birch pollen allergic donors

Isidora Protić-Rosić, Zorana Lopandić, Dragan M. Popović, Gordan Blagojević et autres

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Rat sećanja u Srbiji 1980-1990. uspon nacionalizma i otpor

Dragan M. Popović

Optimization of Non-Polarizable and Polarizable Force Fields and Their Application to Model Compounds

Sonja Grubišić, Ivana Đorđević, Dragan M. Popović

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Comparative study of native and synthetic Cytochrome b: modeling, dynamics, and bioinformatics study

Dragan M. Popović

We defined a procedure to generate the atomic coordinates of an artificial protein (SynCytb), recently synthesized using the template-assembled synthetic strategy. A four-helix bundle, binding two hemes, constitutes the catalytical heart of the photosynthetic cytochrome b6f (Cytb6f) complex and the respiratory cytochrome …

Recombinant Bet v 1-BanLec chimera modulates functional characteristics of peritoneal murine macrophages by promoting IL-10 secretion

Isidora Protić-Rosić, Andrijana Nešić, Ivana Lukić, Radmila Miljković et autres

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CCDC 1986009: Experimental Crystal Structure Determination

Anita Lazić, Ivana Đorđević, Lidija Radovanović, Dragan M. Popović et autres

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …

BanLec-eGFP Chimera as a Tool for Evaluation of Lectin Binding to High-Mannose Glycans on Microorganisms

Zorana Lopandić, Luka Dragačević, Dragan M. Popović, Uroš Andjelković et autres

Fluorescently labeled lectins are useful tools for in vivo and in vitro studies of the structure and function of tissues and various pathogens such as viruses, bacteria, and fungi. For the evaluation of high-mannose glycans present on various glycoproteins, a three-dimensional (3D) …

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Self‐Assembly and Biorecognition of a Spirohydantoin Derived from α‐Tetralone: Interplay between Chirality and Intermolecular Interactions

Anita Lazić, Ivana Đorđević, Lidija Radovanović, Dragan M. Popović et autres

A racemic spirohydantoin derivative with two aromatic substituents, a tetralin and a 4-methoxybenzyl unit, was synthesized and its crystal structure was determined. To define the relationship between molecular stereochemistry and spatial association modes, development of the crystal packing was analyzed through cooperativity …

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New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures

Goran V. Janjić, Stefan T. Jelić, Nemanja P. Trišović, Dragan M. Popović et autres

Fluorination of compounds causes an increase in the proton-donating ability and a decrease in the proton-accepting capacity of groups in their vicinity. The formation of F···F interactions is followed by the shift of the electron density in the area of F···F contact, …

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Catalytic center of cytochrome c oxidase: Effects of protein environment on pKa values of cub histidine ligands

Dragan M. Popović, Ivana Đorđević

The molecular mechanism by which electron transfer (ET) is coupled to proton pumping in cytochrome oxidase is one of the main unsolved problems in biochemistry. Particularly, the nature and position of the proton-loading site is under dispute. The CuB complex has three …

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